Official file locations: Difference between revisions

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This document describes where files live, officially, on the cluster.  
This document describes where files live, officially, on the cluster.  


We have too many old copies of files. The intent is that we use this document to control the official location of files.
= Lost and found =
Are these needed?
/mnt/nfs/exc/zinc22/dude-xtract


= Organized by Topic =
- Backups =  
/nfs/exc/zinc22/psql-backups - TIN database backups
/nfs/exc/backups/  - infrastructure backups
/nfs/exc/bet - bet backups


== Where do we keep SMILES of big databases ==
= By disk =  
== 50-mer tarballs ==
/nfs/exb/zinc22/tarballs - raw 50-mer tarballs Aug 26, 2020 to May 2021. location 1
/nfs/exc/zinc23/tarballs - raw 50-mer tarballs Mar 30, 2021 to June 2021. location 2.
/nfs/exe/zinc23/tarballs - raw 50-mer tarballs July 2021 to Dec 2021. location 3.
/nfs/exd/zinc22/tarballs - copy (mirror) of location 1
/nfs/exe/zinc22/tarballs - copy (mirror) of location 2
/nfs/exf/zinc22/tarballs - copy (mirror) of location 3
== 5000-mer tarballs ==
/nfs/exd/zinc-22?/ - 5000-mer tarballs, location 1. t-x
/nfs/exc/zinc-22?/ - 5000-mer tarballs, location 2. h-s
/nfs/exe/zinc-22?/ - 5000-mer tarballs, location 3. a-g
/wynton/group/bks/zinc-22?/ - copy (mirror) or locations 1,2,3
Also mirrored on AWS.
 
/nfs/exe/2d/ - raw smiles from vendors. (used to be in /nfs/db5/2d/)
 
= By Topic =
 
== 2D SMILES ==
/nfs/exb/rawsmiles/
/nfs/exb/rawsmiles/


== Where do I look for dockable ZINC22 ==  
== 3D ==  
/nfs/exa/zinc22/3D
/nfs/exa/zinc22/3D


= By Location =


== Where do I look for 2D SMILES of ZINC22 ==
{| class="wikitable"
/nfs/exa/zinc22/2D
|-
! disk !! what !! notes
|-
| db2 || SSD 76TB /124TB || fine tranches, smallworld
|-
| db3  || SSD 118TB / 124 TB || work
|-
| db5 || SSD 124TB / 124TB || smiles, zinc22
|-
| ex9 || asdfasdf || lots
|-
| exa || qwer34 || lots
|-
| exb || 275 TB / 275 TB || zinc22 tarballs
|-
| exc || 275 TB / 275 TB || zinc22 dockable
|-
| exd || 275 TB / 275TB || consolidate ex1-ex8
|}


= Organized by Location =


== /nfs/exb/zinc22 ==  
== /nfs/exb/zinc22 ==  

Latest revision as of 23:20, 3 May 2021

This document describes where files live, officially, on the cluster.

Lost and found

Are these needed?

/mnt/nfs/exc/zinc22/dude-xtract 

- Backups =

/nfs/exc/zinc22/psql-backups - TIN database backups
/nfs/exc/backups/  - infrastructure backups
/nfs/exc/bet - bet backups

By disk

50-mer tarballs

/nfs/exb/zinc22/tarballs - raw 50-mer tarballs Aug 26, 2020 to May 2021. location 1
/nfs/exc/zinc23/tarballs - raw 50-mer tarballs Mar 30, 2021 to June 2021. location 2.
/nfs/exe/zinc23/tarballs - raw 50-mer tarballs July 2021 to Dec 2021. location 3.
/nfs/exd/zinc22/tarballs - copy (mirror) of location 1
/nfs/exe/zinc22/tarballs - copy (mirror) of location 2
/nfs/exf/zinc22/tarballs - copy (mirror) of location 3

5000-mer tarballs

/nfs/exd/zinc-22?/ - 5000-mer tarballs, location 1. t-x
/nfs/exc/zinc-22?/ - 5000-mer tarballs, location 2. h-s
/nfs/exe/zinc-22?/ - 5000-mer tarballs, location 3. a-g
/wynton/group/bks/zinc-22?/ - copy (mirror) or locations 1,2,3
Also mirrored on AWS.
/nfs/exe/2d/ - raw smiles from vendors. (used to be in /nfs/db5/2d/)

By Topic

2D SMILES

/nfs/exb/rawsmiles/

3D

/nfs/exa/zinc22/3D

By Location

disk what notes
db2 SSD 76TB /124TB fine tranches, smallworld
db3 SSD 118TB / 124 TB work
db5 SSD 124TB / 124TB smiles, zinc22
ex9 asdfasdf lots
exa qwer34 lots
exb 275 TB / 275 TB zinc22 tarballs
exc 275 TB / 275 TB zinc22 dockable
exd 275 TB / 275TB consolidate ex1-ex8


/nfs/exb/zinc22

This is where 3D databases of ZINC22 live. Within

  • The raw tarballs go in /nfs/exb/zinc22/tarballs/
  • 2D SMILES go

/nfs/exc/dock/zinc22

This is where the dockable version of zinc22 lives. It is organized by fine tranche HxxPyyy